SCHEMBL4497530

SCHEMBL4497530

CC(C)(C)ON(C=O)CCS(=O)(=O)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
KMT2A Q03164 4/20 0.43
HSP90AA1 P07900 2/20 0.43
CXCR5 P32302 2/20 0.43
APLNR P35414 2/20 0.43
CCR6 P51684 2/20 0.43
GFER P55789 1/20 0.43
AGTR1 P30556 1/20 0.41
CYP2C19 P33261 2/20 0.38
MAPT P10636 3/20 0.35
PKM P14618 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 5/20 0.33
POLB P06746 1/20 0.33
SLC2A1 P11166 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4973717 0.74 RAB9A (0.56) RAB9AKMT2AHSP90AA1CXCR5APLNR
SCHEMBL445466 0.72 KCNH2 (0.48)
SCHEMBL13713054 0.71 AGTR1 (0.54) RAB9AKMT2AHSP90AA1CXCR5APLNR
SCHEMBL4497526 0.71 CYP2C19 (0.45) RAB9AKMT2AHSP90AA1CXCR5APLNR
SCHEMBL1548609 0.70 CYP2C19 (0.45) RAB9AKMT2AHSP90AA1CXCR5APLNR
SCHEMBL4490408 0.69 RAB9A (0.48) RAB9AKMT2AHSP90AA1CXCR5APLNR
SCHEMBL9058794 0.69 CRHBP (0.46) CYP2C19ALDH1A1
SCHEMBL4494542 0.68 AGTR1 (0.48) RAB9AKMT2AHSP90AA1CXCR5APLNR
SCHEMBL4494550 0.68 AGTR1 (0.48) RAB9AKMT2AHSP90AA1CXCR5APLNR
SCHEMBL4488114 0.68 RAB9A (0.46) RAB9AKMT2AHSP90AA1CXCR5APLNR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585883-B2 Substituted pyridines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-09-08 US disclosed
EP-1817303-A2 SUBSTITUTED PYRIDINES WITH ACTIVITY ON SYK KINASE Rigel Pharmaceuticals, Inc. (US) 2007-08-15 EP disclosed
US-20060178407-A1 Substituted pyridines and their uses RIGEL PHARMACEUTICAL, INC. (US) 2006-08-10 US disclosed
WO-2006050480-A2 SUBSTITUTED PYRIDINES WITH ACTIVITY ON SYK KINASE RIGEL PHARMACEUTICALS, INC. (US) 2006-05-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060178407-A1 Substituted pyridines and their uses KIT, CPA3, CMA1 RAB9A 2557/4885KMT2A 1075/4885HSP90AA1 3864/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.